N-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-1-oxo-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-keto-2-methyl-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2C(N(C(=O)C3=CC=CC=C23)C)C4=CC=CS4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2C(N(C(=O)C3=CC=CC=C23)C)C4=CC=CS4)OCC

InChI

InChI=1S/C27H30N2O4S/c1-4-32-21-13-12-18(17-22(21)33-5-2)14-15-28-26(30)24-19-9-6-7-10-20(19)27(31)29(3)25(24)23-11-8-16-34-23/h6-13,16-17,24-25H,4-5,14-15H2,1-3H3,(H,28,30)